2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[(1R)-1-phenylethyl]acetamide

C14H17N3O4S — CID 94180339

IUPAC2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[(1R)-1-phenylethyl]acetamide
SMILESCc1noc(CS(=O)(=O)CC(=O)N[C@H](C)c2ccccc2)n1
InChIInChI=1S/C14H17N3O4S/c1-10(12-6-4-3-5-7-12)15-13(18)8-22(19,20)9-14-16-11(2)17-21-14/h3-7,10H,8-9H2,1-2H3,(H,15,18)/t10-/m1/s1
InChIKeyXNYGRSCYPUPTIJ-SNVBAGLBSA-N
MW323.37 g/mol
LogP1.17
Rot. Bonds6

About 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[(1R)-1-phenylethyl]acetamide

2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 94180339) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[(1R)-1-phenylethyl]acetamide
PubChem CID94180339
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[(1R)-1-phenylethyl]acetamide
SMILESCc1noc(CS(=O)(=O)CC(=O)N[C@H](C)c2ccccc2)n1
InChIInChI=1S/C14H17N3O4S/c1-10(12-6-4-3-5-7-12)15-13(18)8-22(19,20)9-14-16-11(2)17-21-14/h3-7,10H,8-9H2,1-2H3,(H,15,18)/t10-/m1/s1
InChIKeyXNYGRSCYPUPTIJ-SNVBAGLBSA-N
XLogP1.17
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[(1R)-1-phenylethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 86989478
2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide
CID 56783299
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-methyl-1-phenylpropyl)propanamide
CID 86917615
2-(2-cyanoethylsulfonyl)-N-(1-phenylethyl)acetamide
CID 82181529
3-methyl-5-(3-phenylpropylsulfonylmethyl)-1,2,4-oxadiazole
CID 126804224
2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 95098183
2-amino-N-(1-phenylethyl)acetamide
CID 10631169
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide
CID 9032989
(2S)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-phenylacetic acid
CID 119372360
3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 92893111
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 87001177
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]propanamide
CID 96567500

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[(1R)-1-phenylethyl]acetamide (CID 94180339) is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[(1R)-1-phenylethyl]acetamide is Cc1noc(CS(=O)(=O)CC(=O)N[C@H](C)c2ccccc2)n1.
What is the InChIKey of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is XNYGRSCYPUPTIJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-10(12-6-4-3-5-7-12)15-13(18)8-22(19,20)9-14-16-11(2)17-21-14/h3-7,10H,8-9H2,1-2H3,(H,15,18)/t10-/m1/s1.
What are the key properties of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[(1R)-1-phenylethyl]acetamide?
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 323.37 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 94180339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).